SARS2v2 #172 Output Download CSV

View All
 
  The docking scores are in the AutoDock Vina metric.
L: Digoxin
PA_A-H1N1

Docking Scores:
-9.88 -9.59 -9.93
Similarity Score:
N/A
Best Match:
N/A

L: Hexachlorophene
PA_A-H1N1

Docking Scores:
-6.83 -7.16 -7.26
Similarity Score:
N/A
Best Match:
N/A

L: Digitoxin
PA_A-H1N1

Docking Scores:
-9.66 -9.23 -8.71
Similarity Score:
N/A
Best Match:
N/A

L: Proscillaridin
PA_A-H1N1

Docking Scores:
-9.83 -9.33 -9.11
Similarity Score:
N/A
Best Match:
N/A

L: Hydroxyprogesterone caproate
PA_A-H1N1

Docking Scores:
-6.95 -7.87 -7.83
Similarity Score:
N/A
Best Match:
N/A

L: Digoxin
PA_A-H5N1

Docking Scores:
-10.86 -9.56 -9.95
Similarity Score:
N/A
Best Match:
N/A

L: Hexachlorophene
PA_A-H5N1

Docking Scores:
-7.21 -6.83 -6.80
Similarity Score:
N/A
Best Match:
N/A

L: Digitoxin
PA_A-H5N1

Docking Scores:
-10.38 -9.78 -10.02
Similarity Score:
N/A
Best Match:
N/A

L: Proscillaridin
PA_A-H5N1

Docking Scores:
-10.42 -9.86 -10.16
Similarity Score:
N/A
Best Match:
N/A

L: Hydroxyprogesterone caproate
PA_A-H5N1

Docking Scores:
-7.63 -7.10 -7.21
Similarity Score:
N/A
Best Match:
N/A

L: Digoxin
PA_INFA

Docking Scores:
-9.24 -9.54 -9.28
Similarity Score:
27.07%
Best Match:
CHEMBL2040554

L: Hexachlorophene
PA_INFA

Docking Scores:
-7.59 -7.22 -7.23
Similarity Score:
28.28%
Best Match:
CHEMBL3600948

L: Digitoxin
PA_INFA

Docking Scores:
-8.47 -9.66 -9.37
Similarity Score:
27.07%
Best Match:
CHEMBL2040554

L: Proscillaridin
PA_INFA

Docking Scores:
-8.34 -8.30 -9.48
Similarity Score:
24.43%
Best Match:
CHEMBL2040554

L: Hydroxyprogesterone caproate
PA_INFA

Docking Scores:
-8.64 -7.52 -8.39
Similarity Score:
29.46%
Best Match:
CHEMBL2040554

L: Digoxin
PA_INFB

Docking Scores:
-8.80
Similarity Score:
N/A
Best Match:
N/A

L: Hexachlorophene
PA_INFB

Docking Scores:
-6.85
Similarity Score:
N/A
Best Match:
N/A

L: Digitoxin
PA_INFB

Docking Scores:
-8.58
Similarity Score:
N/A
Best Match:
N/A

L: Proscillaridin
PA_INFB

Docking Scores:
-9.38
Similarity Score:
N/A
Best Match:
N/A

L: Hydroxyprogesterone caproate
PA_INFB

Docking Scores:
-7.79
Similarity Score:
N/A
Best Match:
N/A